[(5S,8R,9S,10S,13R,14S,17R)-3-ethenyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2-oxidanylidene-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(5S,8R,9S,10S,13R,14S,17R)-3-ethenyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2-oxidanylidene-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2-oxo-3-vinyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(5S,8R,9S,10S,13R,14S,17R)-3-ethenyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(5S,8R,9S,10S,13R,14S,17R)-3-ethenyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-2-keto-10,13-dimethyl-3-vinyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C31H50O3 MolecularWeight: 470.7269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC(=O)C(C4)(C=C)OC(=O)C)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC(=O)C(C4)(C=C)OC(=O)C)C)C

InChI

InChI=1S/C31H50O3/c1-8-31(34-22(5)32)18-23-12-13-24-26-15-14-25(21(4)11-9-10-20(2)3)29(26,6)17-16-27(24)30(23,7)19-28(31)33/h8,20-21,23-27H,1,9-19H2,2-7H3/t21-,23+,24+,25-,26+,27+,29-,30+,31?/m1/s1